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4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-1,2,3,4-tetrahydroquinolin-2-one
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ChemBase ID:
370575
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Molecular Formular:
C22H25N3O2
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Molecular Mass:
363.4528
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Monoisotopic Mass:
363.19467706
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SMILES and InChIs
SMILES:
N1(C(=O)NCC1)c1cc2NC(=O)CC(c2cc1)c1ccc(cc1)CC(C)C
Canonical SMILES:
O=C1Nc2cc(ccc2C(C1)c1ccc(cc1)CC(C)C)N1CCNC1=O
InChI:
InChI=1S/C22H25N3O2/c1-14(2)11-15-3-5-16(6-4-15)19-13-21(26)24-20-12-17(7-8-18(19)20)25-10-9-23-22(25)27/h3-8,12,14,19H,9-11,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKey:
JBPJIZNEVZGZFL-UHFFFAOYSA-N
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Cite this record
CBID:370575 http://www.chembase.cn/molecule-370575.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-1,2,3,4-tetrahydroquinolin-2-one
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IUPAC Traditional name
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4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
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Synonyms
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4-(4-isobutylphenyl)-7-(2-oxoimidazolidin-1-yl)-3,4-dihydroquinolin-2(1H)-one
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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13.500997
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H Acceptors
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2
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H Donor
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2
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LogD (pH = 5.5)
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3.4474018
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LogD (pH = 7.4)
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3.4474015
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Log P
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3.4474018
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Molar Refractivity
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107.2046 cm3
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Polarizability
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40.322395 Å3
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Polar Surface Area
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61.44 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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H Acceptors
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2
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H Donor
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2
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Log P
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3.35
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LOG S
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-4.71
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Polar Surface Area
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61.44 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent